| Canonical Smiles | CC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)CN3CCOCC3)C |
|---|---|
| IUPAC Name | (3,4-dimethylphenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone |
| InChIKey | LKMNIDRPZDCAPB-UHFFFAOYSA-N |
| INCHI | 1S/C20H23NO2/c1-15-3-6-19(13-16(15)2)20(22)18-7-4-17(5-8-18)14-21-9-11-23-12-10-21/h3-8,13H,9-12,14H2,1-2H3 |
| Isomeric SMILES | CC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)CN3CCOCC3)C |
| PubChem CID | 24724240 |
| Molecular Weight | 309.409 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzophenones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzophenones |
| Alternative Parents | Diphenylmethanes Aryl-phenylketones o-Xylenes Phenylmethylamines Benzylamines Benzoyl derivatives Aralkylamines Morpholines Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzophenone - Aryl-phenylketone - Diphenylmethane - Benzoyl - Benzylamine - O-xylene - Xylene - Aryl ketone - Phenylmethylamine - Aralkylamine - Morpholine - Oxazinane - Ketone - Tertiary aliphatic amine - Tertiary amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups. |
| External Descriptors | Not available |
| Molecular Weight | 309.400 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 309.173 Da |
| Monoisotopic Mass | 309.173 Da |
| Topological Polar Surface Area | 29.500 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 383.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
